SCHEMBL4256565

SCHEMBL4256565

Cc1cnc(Cl)nc1NC1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.48
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
MERTK Q12866 1/20 0.44
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
JAK1 P23458 5/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
SYK P43405 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA2A P08913 1/20 0.39
HRH1 P35367 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4256566 1.00 BTK (0.48) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL21776238 0.89 BTK (0.46) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL29785350 0.87 BTK (0.47) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL20674042 0.87 BTK (0.47) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL28385129 0.87 BTK (0.47) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL16202740 0.86 MERTK (0.49) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL4258023 0.85 BTK (0.48) BTKMERTKCKS1BSKP1SKP2
SCHEMBL4258019 0.85 BTK (0.48) BTKMERTKCKS1BSKP1SKP2
SCHEMBL16202703 0.84 MERTK (0.49) BTKSTK17BSTK17AMERTKCKS1B
SCHEMBL2516929 0.81 KMT2A (0.55) KMT2APIK3CAADRA2AHRH1HTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 BTK 1400/4885STK17B 2126/4885STK17A 1743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.